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1505-29-9 | Phenol, 3-(1-methyl-3-propyl-3-pyrrolidinyl)-, 1-propanoate
CAS No: 1505-29-9 Catalog No: AG001MNV MDL No:
Product Description
Catalog Number:
AG001MNV
Chemical Name:
Phenol, 3-(1-methyl-3-propyl-3-pyrrolidinyl)-, 1-propanoate
CAS Number:
1505-29-9
Molecular Formula:
C17H25NO2
Molecular Weight:
275.3859
IUPAC Name:
[3-(1-methyl-3-propylpyrrolidin-3-yl)phenyl] propanoate
InChI:
InChI=1S/C17H25NO2/c1-4-9-17(10-11-18(3)13-17)14-7-6-8-15(12-14)20-16(19)5-2/h6-8,12H,4-5,9-11,13H2,1-3H3
InChI Key:
JXPXSSZPELHHHV-UHFFFAOYSA-N
SMILES:
CCCC1(CCN(C1)C)c1cccc(c1)OC(=O)CC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.392g/mol
Monoisotopic Mass:
275.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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